SCHEMBL10182036

SCHEMBL10182036

CNNCCCCCc1cc2oc3cc(O)c(O)cc3c2c(=O)o1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NT5E P21589 1/20 0.40
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
RECQL P46063 2/20 0.38
BLM P54132 2/20 0.38
THRB P10828 2/20 0.38
SLC22A2 O15244 1/20 0.38
SLC22A1 O15245 1/20 0.38
EED O75530 1/20 0.38
ALOX5 P09917 1/20 0.38
G6PD P11413 1/20 0.38
CBR1 P16152 1/20 0.38
APEX1 P27695 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
PGAM1 P18669 2/20 0.37
KDM4E B2RXH2 4/20 0.37
MAPT P10636 4/20 0.37
CYP3A4 P08684 3/20 0.37
MAPK1 P28482 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10181459 0.84 ELANE (0.51) NT5EMEN1KMT2ARECQLBLM
SCHEMBL16167898 0.84 ELANE (0.51) NT5EMEN1KMT2ARECQLBLM
SCHEMBL10135420 0.84 ELANE (0.51) NT5EMEN1KMT2ARECQLBLM
SCHEMBL10182090 0.83 PGAM1 (0.49) NT5EMEN1KMT2ARECQLBLM
SCHEMBL10135416 0.82 NT5E (0.43) NT5EMEN1KMT2ARECQLBLM
SCHEMBL10135412 0.81 NT5E (0.41) NT5EMEN1KMT2ARECQLBLM
SCHEMBL10181803 0.80 NT5E (0.44) NT5EMEN1KMT2ARECQLBLM
SCHEMBL13063348 0.79 NT5E (0.41) NT5EMEN1KMT2ARECQLBLM
SCHEMBL10181608 0.78 PGAM1 (0.46) NT5EPGAM1KDM4EMAPTSMN1; SMN2
SCHEMBL14723724 0.78 MCL1 (0.46) NT5EMEN1KMT2ARECQLBLM

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2121141-B1 COUMESTAN-LIKE ANTIOXIDANTS AND UV ABSORBANTS BASF SE (DE) 2012-02-15 EP disclosed